SCHEMBL28577481

SCHEMBL28577481

CCOC(=O)C1=C(C)NC(=S=O)NC1c1cccc(O)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.73
POLB P06746 1/20 0.59
DHFR P00374 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GUSB P08236 1/20 0.50
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.46
MAPK10 P53779 1/20 0.46
ADORA2B P29275 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5341216 0.85 KIF11 (1.00) KIF11POLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL17323002 0.84 KIF11 (0.77) KIF11POLBDHFRSMN1; SMN2NPSR1
Monastrol SCHEMBL3168349 0.84 KIF11 (0.77) KIF11POLBDHFRALDH1A1GUSB
S-Menastrol SCHEMBL74457 0.84 KIF11 (0.77) KIF11POLBDHFRALDH1A1GUSB
SCHEMBL11785984 0.78 KDM4E (0.70) KIF11POLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL29155697 0.77 KIF11 (0.66) KIF11POLBDHFRSMN1; SMN2NPSR1
SCHEMBL3397866 0.74 PKM (0.80) KIF11SMN1; SMN2ALDH1A1PKMKDM4E
SCHEMBL3341613 0.74 KIF11 (0.62) KIF11POLBDHFRSMN1; SMN2ALDH1A1
SCHEMBL3435307 0.74 KIF11 (0.76) KIF11POLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL3399033 0.74 KIF11 (0.79) KIF11SMN1; SMN2NPSR1ALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667092-B Formylated N-heterocyclic derivatives as FGFR4 inhibitors 诺华股份有限公司 2021-05-28 CN disclosed